4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide

C22H25N5O — CID 119070117

IUPAC4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
SMILESCc1cnccc1CN(C)C(=O)c1ccc(-c2ncc(C)c(N(C)C)n2)cc1
InChIInChI=1S/C22H25N5O/c1-15-12-23-11-10-19(15)14-27(5)22(28)18-8-6-17(7-9-18)20-24-13-16(2)21(25-20)26(3)4/h6-13H,14H2,1-5H3
InChIKeyKXJRSYRDJYDBNG-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.49
Rot. Bonds5

About 4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide

4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide (PubChem CID 119070117) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
PubChem CID119070117
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
SMILESCc1cnccc1CN(C)C(=O)c1ccc(-c2ncc(C)c(N(C)C)n2)cc1
InChIInChI=1S/C22H25N5O/c1-15-12-23-11-10-19(15)14-27(5)22(28)18-8-6-17(7-9-18)20-24-13-16(2)21(25-20)26(3)4/h6-13H,14H2,1-5H3
InChIKeyKXJRSYRDJYDBNG-UHFFFAOYSA-N
XLogP3.49
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]phenyl]acetic acid
CID 77086183
4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-(1-pyrazin-2-ylpropan-2-yl)benzamide
CID 119073466
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97203512
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1,3-oxazole-5-carboxamide
CID 91764923
3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 118785531
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide
CID 176500643
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 166327972
N-benzyl-4-(dimethylamino)-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 42670152
N-methyl-2-pyridin-4-yl-N-(quinolin-8-ylmethyl)pyrimidine-5-carboxamide
CID 72897625
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(3-methyl-4-pyridinyl)benzamide
CID 119064683
N,N-dimethyl-2-(3-methyl-4-pyridinyl)acetamide
CID 130131962
N,N-dimethyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-3-carboxamide
CID 114700898

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The IUPAC name of 4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide (CID 119070117) is 4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide is Cc1cnccc1CN(C)C(=O)c1ccc(-c2ncc(C)c(N(C)C)n2)cc1.
What is the InChIKey of 4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The InChIKey is KXJRSYRDJYDBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-15-12-23-11-10-19(15)14-27(5)22(28)18-8-6-17(7-9-18)20-24-13-16(2)21(25-20)26(3)4/h6-13H,14H2,1-5H3.
What are the key properties of 4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide has a molecular weight of 375.48 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 119070117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).